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Home > Other Heterocycles > 21090-07-3
21090-07-3 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[2-(4-phenyl-1-piperazinyl)ethyl]-
CAS No: 21090-07-3 Catalog No: AG002L29 MDL No:
Product Description
Catalog Number:
AG002L29
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[2-(4-phenyl-1-piperazinyl)ethyl]-
CAS Number:
21090-07-3
Molecular Formula:
C21H29N3O2
Molecular Weight:
355.4739
IUPAC Name:
8-[2-(4-phenylpiperazin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C21H29N3O2/c25-19-16-21(8-4-5-9-21)17-20(26)24(19)15-12-22-10-13-23(14-11-22)18-6-2-1-3-7-18/h1-3,6-7H,4-5,8-17H2
InChI Key:
UWNYSEQNXHRAOC-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.226g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.482g/mol
Monoisotopic Mass:
355.226g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis, screening, and molecular modeling of new potent and selective antagonists at the alpha 1d adrenergic receptor. | Journal of medicinal chemistry 20040408 |
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